2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C16H13F4N5 — CID 142467953

IUPAC2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H13F4N5/c17-9-10-25-23-15(22-24-25)13-3-1-2-4-14(13)21-12-7-5-11(6-8-12)16(18,19)20/h1-8,21H,9-10H2
InChIKeyWDTJVRDONRFKEQ-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.07
Rot. Bonds5

About 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 142467953) has the molecular formula C16H13F4N5 and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID142467953
Molecular FormulaC16H13F4N5
Molecular Weight351.31 g/mol
Exact Mass351.11
IUPAC Name2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H13F4N5/c17-9-10-25-23-15(22-24-25)13-3-1-2-4-14(13)21-12-7-5-11(6-8-12)16(18,19)20/h1-8,21H,9-10H2
InChIKeyWDTJVRDONRFKEQ-UHFFFAOYSA-N
XLogP4.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 142467953) is 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is FCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is WDTJVRDONRFKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N5/c17-9-10-25-23-15(22-24-25)13-3-1-2-4-14(13)21-12-7-5-11(6-8-12)16(18,19)20/h1-8,21H,9-10H2.
What are the key properties of 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 351.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 142467953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).